2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride

C10H13ClF3NOS — CID 170892191

IUPAC2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NOS.ClH/c11-10(12,13)16-9-3-1-7(2-4-9)5-8(14)6-15;/h1-4,8,15H,5-6,14H2;1H
InChIKeyPARVDCUWSMSVHE-UHFFFAOYSA-N
MW287.73 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride

2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 170892191) has the molecular formula C10H13ClF3NOS and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride
PubChem CID170892191
Molecular FormulaC10H13ClF3NOS
Molecular Weight287.73 g/mol
Exact Mass287.04
IUPAC Name2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NOS.ClH/c11-10(12,13)16-9-3-1-7(2-4-9)5-8(14)6-15;/h1-4,8,15H,5-6,14H2;1H
InChIKeyPARVDCUWSMSVHE-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine
CID 162376716
1-[4-(trifluoromethylsulfanyl)phenyl]hexane-2,4-diol
CID 67794201
2-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanedinitrile
CID 22234991
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diol
CID 73129063
(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
CID 171207279
(3S)-3-amino-2,2-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride
CID 171248825
[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid
CID 101159032
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171226802
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propane-1,2-diol
CID 66176743
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride (CID 170892191) is 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is PARVDCUWSMSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS.ClH/c11-10(12,13)16-9-3-1-7(2-4-9)5-8(14)6-15;/h1-4,8,15H,5-6,14H2;1H.
What are the key properties of 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 287.73 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).